General Information of the Compound
| Compound ID |
CP0417922
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| Compound Name |
1'-(6-(5-(pyridin-3-yl)-1,3,4-oxadiazol-2-yl)pyridazin-3-yl)-5-(trifluoromethyl)spiro[chroman-2,4'-piperidine]
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| Structure |
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| Formula |
C25H21F3N6O2
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| Molecular Weight |
494.477
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| Canonical SMILES |
FC(F)(F)c1cccc2OC3(CCN(CC3)c3ccc(nn3)-c3nnc(o3)-c3cccnc3)CCc12
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| InChI |
InChI=1S/C25H21F3N6O2/c26-25(27,28)18-4-1-5-20-17(18)8-9-24(36-20)10-13-34(14-11-24)21-7-6-19(30-31-21)23-33-32-22(35-23)16-3-2-12-29-15-16/h1-7,12,15H,8-11,13-14H2
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| InChIKey |
NSIYCBCGTVBBIZ-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound